SCHEMBL21394638

SCHEMBL21394638

CN1N=C(C(=O)Nc2ccc(Cc3cncc(C(F)(F)F)c3)cn2)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
GPR52 Q9Y2T5 3/20 0.39
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
DYRK1A Q13627 2/20 0.38
DEGS1 O15121 1/20 0.35
PARP1 P09874 2/20 0.35
PTGS1 P23219 3/20 0.35
CSF1R P07333 1/20 0.35
GAA P10253 1/20 0.34
SCN9A Q15858 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21394604 0.90 RAB9A (0.43) RAB9AHIF1AEPAS1DEGS1PARP1
SCHEMBL29358522 0.90 RAB9A (0.43) RAB9AHIF1AEPAS1DEGS1PARP1
SCHEMBL21394774 0.89 PTGS1 (0.42) RAB9AGPR52PTGS1
SCHEMBL21394664 0.88 RAB9A (0.44) RAB9ACYP11B1CYP11B2DYRK1APARP1
SCHEMBL21394661 0.87 CYP11B1 (0.52) RAB9ACYP11B1CYP11B2PARP1CSF1R
SCHEMBL21394597 0.86 RAB9A (0.44) RAB9ACYP11B1CYP11B2GPR52PARP1
SCHEMBL21384513 0.85 RAB9A (0.42) RAB9AGPR52HIF1AEPAS1DYRK1A
SCHEMBL21395043 0.83 RAB9A (0.47) RAB9AGPR52PARP1CSF1R
SCHEMBL29355445 0.83 RAB9A (0.47) RAB9AGPR52PARP1CSF1R
SCHEMBL21394770 0.83 RAB9A (0.46) RAB9APARP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed